Geometry & MOs

Info

ID:	127450
PubChem CID:	51002560
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	375.123736
ΔH_f, kcal/mol:	-155.5
Dipole, Da:	3.02
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

C1COC(CN1CCC(=O)O)C2=CC=C(C=C2)OCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations